sodium 2-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-methyl-amino]ethanesulfonate

Systemtic Name: sodium 2-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-methyl-amino]ethanesulfonate Openeye Name: sodium 2-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo-methyl-amino]ethanesulfonate CAS Name: sodium 2-[[5-[anilino(oxo)methyl]-2-methoxyphenyl]azo-methylamino]ethanesulfonate IUPAC Name: sodium 2-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-methylamino]ethanesulfonate Traditional Name: sodium 2-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo-methyl-amino]ethanesulfonate Formula: C17H19N4NaO5S MolecularWeight: 414.41133

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)[O-])N=NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)OC.[Na+]

Isomeric SMILES

CN(CCS(=O)(=O)[O-])N=NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)OC.[Na+]

InChI

InChI=1S/C17H20N4O5S.Na/c1-21(10-11-27(23,24)25)20-19-15-12-13(8-9-16(15)26-2)17(22)18-14-6-4-3-5-7-14;/h3-9,12H,10-11H2,1-2H3,(H,18,22)(H,23,24,25);/q;+1/p-1